4-Nitrophenyltrifluoracetat

4-Nitrophenyl trifluoroacetate

HCID 69569CAS 658-78-6

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Grundinformationen

Standard-SMILES: O=C(Oc1ccc([N+](=O)[O-])cc1)C(F)(F)F
InChIKey: JFOIBTLTZWOAIC-UHFFFAOYSA-N
Summenformel: C8H4F3NO4
Durchschnittliche Molmasse: 235,12 g/mol
Monoisotopische Masse: 235,00924227

Namen und Bezeichner

Bevorzugter Name: 4-Nitrophenyl trifluoroacetate
IUPAC: (4-nitrophenyl) 2,2,2-trifluoroacetate
Lokaler Name: 4-Nitrophenyltrifluoracetat
Englischer Name: 4-NITROPHENYL TRIFLUOROACETATE
Summenformel: C8H4F3NO4
Molmasse: 235.12

Namen und Synonyme

4-Nitrophenyl trifluoroacetateAcetic acid, trifluoro-, 4-nitrophenyl esterTrifluoroacetic Acid 4-Nitrophenyl EsterH23CZQ62HCEINECS 211-524-6NSC 93909NSC-93909Acetic acid, 2,2,2-trifluoro-, 4-nitrophenyl esterDTXSID7060960Trifluoroacetic acid, 4-nitrophenyl esterRefChem:100120DTXCID4044660

Weitere Namen anzeigen

TFAONPTrifluoro-AcSAKAKI BARA'S REAGENT4-Nitrophenyltrifluoracetatp-Nitrophenyl trifuoroacetateNITROPHENYLTRIFLUOROACETATE(4-)4-Nitrophenyltrifluoroacetate99%4-Nitrophenyl trifluoroacetate 99%

211-524-6JFOIBTLTZWOAIC-UHFFFAOYSA-N658-78-64-nitrophenyl 2,2,2-trifluoroacetatep-Nitrophenyl trifluoroacetate(4-nitrophenyl) 2,2,2-trifluoroacetateTrifluoroacetic acid p-nitrophenyl esterMFCD00007324

Datenbank-Bezeichner

CAS: 658-78-6
PubChem CID: 69569
DTXSID: DTXSID7060960
UNII: H23CZQ62HC
EC Number: 211-524-6
Nikkaji: J205.952E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,6
Polarare Oberfläche (TPSA): 72,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 7
Frei drehbare Bindungen: 2
Schwere Atome: 16
Formalladung: 0
Komplexität: 278

Physikochemische Eigenschaften

Schmelzpunkt: 35 · 35-39 °C (lit.)
Siedepunkt: 120 °C/12 · 120 °C/12 mmHg (lit.)
Dichte: 1.5675 · 1.5675 (estimate)
Flammpunkt: 230 °F · >230 °F
storage temp.: Inert atmosphere,Room Temperature
Löslichkeit: almost transparency in Methanol
Aggregatzustand: powder to lump to clear liquid
Farbe: White or Colorless to Yellow
BRN: 658785 · 658785
Major Application: peptide synthesis
InChI: InChI=1S/C8H4F3NO4/c9-8(10,11)7(13)16-6-3-1-5(2-4-6)12(14)15/h1-4H
InChIKey: JFOIBTLTZWOAIC-UHFFFAOYSA-N
SMILES: C(OC1=CC=C([N+]([O-])=O)C=C1)(=O)C(F)(F)F
CAS Datenbank: 658 · 658-78-6(CAS DataBase Reference)
EPA chemische Informationen: 4 · Acetic acid, trifluoro-, 4-nitrophenyl ester (658-78-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.